Geometry & MOs

Info

ID:	143265
PubChem CID:	53176496
Reduced:	FO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	427.121131
ΔH_f, kcal/mol:	-61.59
Dipole, Da:	6.35
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)-4-oxo-3a,5-dihydro-1H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CC2=NNC(=O)C3N2NC(=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations